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Anisotropic Thermal Expansion and Electronic Structure of LiInSe₂.

ABSTRACT: Optical quality cm-sized LiInSe₂ crystals were grown using the Bridgman-Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5-6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe₂ were determined by the XRD measurements in the temperature range of 303-703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe₂: α_a = 8.1 (1), α_b = 16.1 (2) and α_c = 5.64 (6) MK^-1. The electronic structure of LiInSe₂ was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe₂ was calculated by ab initio methods.

SUBMITTER: Atuchin VV

PROVIDER: S-EPMC9413981 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature

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Anisotropic Thermal Expansion and Electronic Structure of LiInSe2.

Atuchin Victor V VV Isaenko Ludmila I LI Lobanov Sergei I SI Goloshumova Alina A AA Molokeev Maxim S MS Zhang Zhaoming Z Zhang Xingyu X Jiang Xingxing X Lin Zheshuai Z

Molecules (Basel, Switzerland) 20220810 16

Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman-Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5-6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303-703 K and strong anisotropy of the thermal expansion ...[more]

PMID: 36014319

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